2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-3-prop-2-enyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H15ClN4O2S3 MolecularWeight: 499.0281

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)SC=C2C5=CC=CS5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)SC=C2C5=CC=CS5

InChI

InChI=1S/C22H15ClN4O2S3/c1-2-7-27-21(29)18-14(16-4-3-8-30-16)10-31-20(18)26-22(27)32-11-17-24-15-9-12(23)5-6-13(15)19(28)25-17/h2-6,8-10H,1,7,11H2,(H,24,25,28)